orbital_charges     :real:2:4,8
  0.150171562323099E+001  0.826926819049955E+000  0.832411842040235E+000
  0.831495784491827E+000  0.151801958158426E+001  0.836245538872684E+000
  0.834745710913774E+000  0.837211823889341E+000  0.148346287056780E+001
  0.830600165971876E+000  0.829349831606188E+000  0.825317355269342E+000
  0.151659503212559E+001  0.834850510549045E+000  0.831979962999567E+000
  0.831736346827805E+000  0.153285735806587E+001  0.836554446040812E+000
  0.835234618582735E+000  0.837847901378519E+000  0.149425598645194E+001
  0.827184534813941E+000  0.835050522956615E+000  0.830298511981184E+000
  0.149973102915100E+001  0.833010240502997E+000  0.824184137719994E+000
  0.831680199662761E+000  0.148963557891400E+001  0.829438295443877E+000
  0.831677268696273E+000  0.828694569647206E+000
forces              :real:2:3,8
  0.182882214713684E-001  0.985259820030832E-002  0.357911121431396E-001
 -0.628138987323765E-002 -0.209098318291790E-001 -0.165499753109252E-001
 -0.658188083950354E-002 -0.111677597247581E-001 -0.117599683521079E-001
 -0.632956336334830E-002  0.246773080367300E-001  0.273720466610060E-001
  0.723564831576210E-002 -0.109237556578410E-001 -0.152737264678895E-001
 -0.399770273206596E-003  0.514819668887961E-002 -0.101836461315814E-001
 -0.160225835739891E-001  0.831054300554123E-002  0.253845956425203E-002
  0.100913181361547E-001 -0.498729871968108E-002 -0.119343021058937E-001
mermin_energy       :real:0:
 -0.103568092926818E+002
end_coords          :real:2:3,8
 -0.198271688218115E+000  0.154841770552017E-001 -0.284531390415182E+000
  0.257962823072096E+001  0.255339542512386E+001  0.261122450813074E+001
  0.507467445887261E+001  0.523747640272289E+001  0.155947776732369E+000
  0.789450577113865E+001  0.750802158546181E+001  0.242524158566839E+001
  0.516837140193803E+001 -0.280129326734705E-001  0.517111645141200E+001
  0.754672807899813E+001  0.268913763625505E+001  0.771449818741099E+001
  0.171765810910241E+000  0.503677133976638E+001  0.519081071185192E+001
  0.252974832006581E+001  0.775487675071459E+001  0.778284255363508E+001
